Nordeoxycholic acid disulfate
TL;DR: Nordeoxycholic acid disulfate (CAS 124183-28-4) is a chemical compound with molecular formula C23H38O10S2 and molecular weight 538.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
Also Known As: Nordeoxycholic acid disulfate, 24-Norcholan-23-oic acid, 3,12-bis(sulfooxy)-, (3alpha,5beta,12alpha)-, (3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid, 24-Norcholan-23-oic acid, 3,12-bis(sulfooxy)-, (3.alpha.,5.beta.,12.alpha.)-
| Molecular Formula | C23H38O10S2 |
|---|---|
| Molecular Weight | 538.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.1906 |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 124183-28-4 |
|---|---|
| SMILES | C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C |
| InChIKey | PZNXZOVYTZDYNB-AHFDLSHQSA-N |
Product Overview
Nordeoxycholic acid disulfate (CAS 124183-28-4), with molecular formula C23H38O10S2 and molecular weight 538.19 g/mol. IUPAC: (3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid.
Chemical Property Profile of Nordeoxycholic acid disulfate
Property Insights of Nordeoxycholic acid disulfate
The XLogP value of 3.8 indicates that Nordeoxycholic acid disulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Nordeoxycholic acid disulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nordeoxycholic acid disulfate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nordeoxycholic acid disulfate?
The CAS number of Nordeoxycholic acid disulfate is 124183-28-4.
What is the molecular formula of Nordeoxycholic acid disulfate?
The molecular formula of Nordeoxycholic acid disulfate is C23H38O10S2.
What is the molecular weight of Nordeoxycholic acid disulfate?
The molecular weight of Nordeoxycholic acid disulfate is 538.19 g/mol.
Where can I buy Nordeoxycholic acid disulfate?
You can request a quote for Nordeoxycholic acid disulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nordeoxycholic acid disulfate?
Yes, KEHONG BIO provides custom synthesis services for Nordeoxycholic acid disulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.